ChemSpider 2D Image | 2-[(2S)-1-(Chloroacetyl)-3-oxo-2-piperazinyl]-N-(2-methylphenyl)acetamide | C15H18ClN3O3

2-[(2S)-1-(Chloroacetyl)-3-oxo-2-piperazinyl]-N-(2-methylphenyl)acetamide

  • Molecular FormulaC15H18ClN3O3
  • Average mass323.775 Da
  • Monoisotopic mass323.103668 Da
  • ChemSpider ID98607359

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(2S)-1-(2-Chloroacétyl)-3-oxo-2-pipérazinyl]-N-(2-méthylphényl)acétamide [French] [ACD/IUPAC Name]
2-[(2S)-1-(Chloracetyl)-3-oxo-2-piperazinyl]-N-(2-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(2S)-1-(Chloroacetyl)-3-oxo-2-piperazinyl]-N-(2-methylphenyl)acetamide [ACD/IUPAC Name]
2-Piperazineacetamide, 1-(2-chloroacetyl)-N-(2-methylphenyl)-3-oxo-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 642.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.6±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 82.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 37.42
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 37.42
Polar Surface Area: 79 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 247.5±3.0 cm3

Click to predict properties on the Chemicalize site


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